Crystallography Open Database

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2018732 CIF
HKL
Paper
C61 H65 La N6 O4P 21 21 2114.146; 16.358; 22.856
90; 90; 90
5288.9Wang, Yu-Long; Feng, Meng; Tao, Xian; Tang, Qing-Yun; Shen, Ying-Zhong
Two lanthanum(III) complexes containing η^2^-pyrazolate and η^2^-1,2,4-triazolate ligands: intramolecular C—H···N/O interactions and coordination geometries
Acta Crystallographica Section C, 2013, 69, 25-28
2018733 CIF
HKL
Paper
C54 H54 La N9 O3P 1 21/c 111.531; 18.688; 23.827
90; 108.38; 90
4873Wang, Yu-Long; Feng, Meng; Tao, Xian; Tang, Qing-Yun; Shen, Ying-Zhong
Two lanthanum(III) complexes containing η^2^-pyrazolate and η^2^-1,2,4-triazolate ligands: intramolecular C—H···N/O interactions and coordination geometries
Acta Crystallographica Section C, 2013, 69, 25-28
2018734 CIF
HKL
Paper
C8 H9 Na O5 SP 1 21/c 116.649; 6.0854; 9.8244
90; 101.365; 90
975.8Díaz de Vivar, M. Enriqueta; Baggio, Sergio; Baggio, Ricardo
An anisaldehyde sodium bisulfite derivative: poly[[μ~4~-(hydroxy)(4-methoxyphenyl)methanesulfonato]sodium]
Acta Crystallographica Section C, 2013, 69, 52-55
2018735 CIF
HKL
Paper
C18 H21 N O3 SnP 3211.6246; 11.6246; 11.5864
90; 90; 120
1355.92Böhme, Uwe; Fels, Sabine
Enantiomerically pure and racemic dimethyl{<i>N</i>-[(2-oxidonaphthalen-1-yl-κ<i>O</i>)methylidene]valinato-κ^2^<i>N</i>,<i>O</i>}tin(IV)
Acta Crystallographica Section C, 2013, 69, 44-46
2018736 CIF
HKL
Paper
C18 H21 N O3 SnP -18.3148; 8.6633; 12.432
71.03; 87.44; 84.553
842.97Böhme, Uwe; Fels, Sabine
Enantiomerically pure and racemic dimethyl{<i>N</i>-[(2-oxidonaphthalen-1-yl-κ<i>O</i>)methylidene]valinato-κ^2^<i>N</i>,<i>O</i>}tin(IV)
Acta Crystallographica Section C, 2013, 69, 44-46
2018737 CIF
HKL
Paper
C17 H10 F5 N5 O2P -17.4932; 10.5834; 11.4141
102.69; 100.459; 101.986
838.99Alvarez Thon, Luis; Bustos, Carlos; Diaz-Marín, Fernando; Garland, Maria Teresa; Baggio, Ricardo
3,5-Dimethyl-4-[(<i>E</i>)-(2-nitrophenyl)diazenyl]-1-(2,3,4,5,6-pentafluorophenyl)-1<i>H</i>-pyrazole
Acta Crystallographica Section C, 2013, 69, 101-104
2018738 CIF
HKL
Paper
C22 H30 Cu N4 O14 S2P -17.5892; 10.1399; 10.7325
108.675; 109.92; 101.025
692.53Haghjoo, Farhad; Pritchard, Robin
Completing the bis[hydroxybis(pyridin-2-yl)methanesulfonato-κ^3^<i>N</i>,<i>O</i>,<i>N</i>']<i>M</i>^II^ series (<i>M</i> = Mn to Zn) with the copper(II) and cobalt(II) structures
Acta Crystallographica Section C, 2013, 69, 21-24
2018739 CIF
HKL
Paper
C22 H18 Co N4 O8 S2P 1 21/c 17.73; 9.3475; 15.6518
90; 98.499; 90
1118.52Haghjoo, Farhad; Pritchard, Robin
Completing the bis[hydroxybis(pyridin-2-yl)methanesulfonato-κ^3^<i>N</i>,<i>O</i>,<i>N</i>']<i>M</i>^II^ series (<i>M</i> = Mn to Zn) with the copper(II) and cobalt(II) structures
Acta Crystallographica Section C, 2013, 69, 21-24
2018740 CIF
HKL
Paper
C38 H24 N10 ZnP 43 21 29.7292; 9.7292; 34.3125
90; 90; 90
3247.93Harvey, Miguel Angel; Suarez, Sebastián; Doctorovich, Fabio; Baggio, Ricardo
A new polymorph of bis[2,6-bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridinido-κ<i>N</i>]zinc(II)
Acta Crystallographica Section C, 2013, 69, 47-51
2018741 CIF
HKL
Paper
C20 H18 O6P -16.5002; 10.8931; 11.8005
103.793; 102.111; 95.836
783.22Negi, Devendra Singh; Negi, Nisha; Kumar, Ashok; Matsunami, Katsuyoshi; Schulz, Stefan; Jones, Peter G.
(±)-Asarinin
Acta Crystallographica Section C, 2013, 69, 87-89
2018742 CIF
HKL
Paper
C10 H11 N3 O3 SP 1 21/c 111.9857; 7.9094; 11.6777
90; 93.778; 90
1104.64Elgemeie, Galal H.; Sayed, Shahinaz H.; Jones, Peter G.
True symmetry or pseudosymmetry: 5-amino-1-(4-methylphenylsulfonyl)-4-pyrazolin-3-one and a comparison with its 1-phenylsulfonyl analogue
Acta Crystallographica Section C, 2013, 69, 90-92
2018743 CIF
HKL
Paper
C9 H10 La N2 O9P 1 2/n 113.022; 4.9269; 19.42
90; 92.54; 90
1244.7Chen, Wen-Xian; Liu, Qiu-Ping; Zhuang, Gui-Lin; Zhou, Sheng-Jun
A novel La^III^-based metal‒organic framework (MOF) with a new topology: poly[diaquabis(μ~5~-2,5-dioxopiperazine-1,4-diacetato)(μ~2~-oxalato)dilanthanum(III)]
Acta Crystallographica Section C, 2013, 69, 5-7
2018744 CIF
HKL
Paper
C24 H18 Br2 N2 S2C 1 2/c 121.4175; 5.9779; 17.6539
90; 106.648; 90
2165.51Abboud, Mohamed; Mamane, Victor; Aubert, Emmanuel
Energetic analysis of the molecular packing of 5,5'-dibromo-2,2'-bis[4-(methylsulfanyl)phenyl]-4,4'-bipyridine: the role of π‒π and halogen interactions
Acta Crystallographica Section C, 2013, 69, 56-60
2018745 CIF
HKL
Paper
C10 H19 N5 O3 SP -18.0894; 12.037; 15.39
89.774; 89.466; 76.691
1458.2Hützler, Wilhelm Maximilian; Bolte, Michael
Five pseudopolymorphs of 6-amino-2-thiouracil: absence of N—H···S hydrogen bonds
Acta Crystallographica Section C, 2013, 69, 93-100
2018746 CIF
HKL
Paper
C8 H14 N4 O2 SP 1 21/n 19.4615; 9.2679; 13.4208
90; 101.801; 90
1152Hützler, Wilhelm Maximilian; Bolte, Michael
Five pseudopolymorphs of 6-amino-2-thiouracil: absence of N—H···S hydrogen bonds
Acta Crystallographica Section C, 2013, 69, 93-100
2018747 CIF
HKL
Paper
C20 H37 N9 O5 S2P c a 2115.2133; 7.4335; 24.445
90; 90; 90
2764.4Hützler, Wilhelm Maximilian; Bolte, Michael
Five pseudopolymorphs of 6-amino-2-thiouracil: absence of N—H···S hydrogen bonds
Acta Crystallographica Section C, 2013, 69, 93-100
2018748 CIF
HKL
Paper
C23 H37 N9 O5 S2P c a 2115.2293; 7.5483; 25.1871
90; 90; 90
2895.4Hützler, Wilhelm Maximilian; Bolte, Michael
Five pseudopolymorphs of 6-amino-2-thiouracil: absence of N—H···S hydrogen bonds
Acta Crystallographica Section C, 2013, 69, 93-100
2018749 CIF
HKL
Paper
C23 H37 N9 O5 S2P b c a7.5509; 15.2328; 50.601
90; 90; 90
5820.2Hützler, Wilhelm Maximilian; Bolte, Michael
Five pseudopolymorphs of 6-amino-2-thiouracil: absence of N—H···S hydrogen bonds
Acta Crystallographica Section C, 2013, 69, 93-100
2018750 CIF
Paper
C14 H17 N O5P b c m11.3011; 19.276; 6.6725
90; 90; 90
1453.54Ilangovan, Andivelu; Venkatesan, Perumal; Ganesh Kumar, Rajendran
Hydrogen bonding due to regioisomerism and its effect on the supramolecular architecture of diethyl 2-[(2/4-hydroxyanilino)methylidene]malonates
Acta Crystallographica Section C, 2013, 69, 70-73
2018751 CIF
Paper
C14 H17 N O5P 1 21/n 110.997; 10.8919; 12.3244
90; 105.206; 90
1424.5Ilangovan, Andivelu; Venkatesan, Perumal; Ganesh Kumar, Rajendran
Hydrogen bonding due to regioisomerism and its effect on the supramolecular architecture of diethyl 2-[(2/4-hydroxyanilino)methylidene]malonates
Acta Crystallographica Section C, 2013, 69, 70-73
2018752 CIF
HKL
Paper
Ge4 Li1.03 Sm3.97P n m a7.2846; 14.938; 7.8594
90; 90; 90
855.2Suen, Nian-Tzu; You, Tae-Soo; Bobev, Svilen
Synthesis, crystal structures and chemical bonding of RE~5{-~<i>x</i>}Li~<i>x~</i>Ge~4~ (RE = Nd, Sm and Gd; <i>x</i> \σimeq 1) with the orthorhombic Gd~5~Si~4~ type
Acta Crystallographica Section C, 2013, 69, 1-4
2018753 CIF
HKL
Paper
Ge4 Li1.03 Nd3.97P n m a7.3649; 15.092; 7.9406
90; 90; 90
882.6Suen, Nian-Tzu; You, Tae-Soo; Bobev, Svilen
Synthesis, crystal structures and chemical bonding of RE~5{-~<i>x</i>}Li~<i>x~</i>Ge~4~ (RE = Nd, Sm and Gd; <i>x</i> \σimeq 1) with the orthorhombic Gd~5~Si~4~ type
Acta Crystallographica Section C, 2013, 69, 1-4
2018754 CIF
HKL
Paper
Gd3.96 Ge4 Li1.04P n m a7.188; 14.816; 7.767
90; 90; 90
827.2Suen, Nian-Tzu; You, Tae-Soo; Bobev, Svilen
Synthesis, crystal structures and chemical bonding of RE~5{-~<i>x</i>}Li~<i>x~</i>Ge~4~ (RE = Nd, Sm and Gd; <i>x</i> \σimeq 1) with the orthorhombic Gd~5~Si~4~ type
Acta Crystallographica Section C, 2013, 69, 1-4
2018755 CIF
HKL
Paper
C12 H32 I K N4 O10C 1 2/c 113.714; 22.799; 8.0786
90; 111.94; 90
2343Fleck, Michel; Ghazaryan, Vahram V.; Petrosyan, Aram M.
Diaquaiodidotetrasarcosinepotassium: an overview of sarcosine metal halogenide structures
Acta Crystallographica Section C, 2013, 69, 11-16
2018756 CIF
HKL
Paper
C14 H10 N2 O5 ZnP 1 2/c 114.424; 6.3401; 7.234
90; 92.51; 90
660.9Liu, Lei-Lei; Zhao, Feng
Poly[aqua[μ~4~-3,3'-(diazenediyl)dibenzoato]zinc]
Acta Crystallographica Section C, 2013, 69, 29-32
2018757 CIF
HKL
Paper
C11 H19 N O6P 1 21 19.219; 5.815; 12.263
90; 99.74; 90
647.9Wojewska, Dominika; Kluczyk, Alicja; Ślepokura, Katarzyna
Geometric changes around an N atom due to a urethane-type bis(<i>tert</i>-butoxycarbonyl) substituent
Acta Crystallographica Section C, 2013, 69, 82-86
2018758 CIF
HKL
Paper
C16 H27 N O8P 21 21 215.922; 9.635; 33.026
90; 90; 90
1884.4Wojewska, Dominika; Kluczyk, Alicja; Ślepokura, Katarzyna
Geometric changes around an N atom due to a urethane-type bis(<i>tert</i>-butoxycarbonyl) substituent
Acta Crystallographica Section C, 2013, 69, 82-86
2018759 CIF
HKL
Paper
C H K3 Mo2 O13P c a 2111.147; 5.985; 16.32
90; 90; 90
1088.8Takehara, Masaki; Hashimoto, Masato
Potassium, rubidium and ammonium salts of μ-(formato-κ^2^<i>O</i>:<i>O</i>')-μ-oxido-bis[oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')molybdate(VI)]
Acta Crystallographica Section C, 2013, 69, 37-40
2018760 CIF
HKL
Paper
C H Mo2 O13 Rb3P c a 2111.472; 6.208; 16.633
90; 90; 90
1184.6Takehara, Masaki; Hashimoto, Masato
Potassium, rubidium and ammonium salts of μ-(formato-κ^2^<i>O</i>:<i>O</i>')-μ-oxido-bis[oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')molybdate(VI)]
Acta Crystallographica Section C, 2013, 69, 37-40
2018761 CIF
HKL
Paper
C H13 Mo2 N3 O13P b c m6.091; 11.622; 16.8
90; 90; 90
1189.3Takehara, Masaki; Hashimoto, Masato
Potassium, rubidium and ammonium salts of μ-(formato-κ^2^<i>O</i>:<i>O</i>')-μ-oxido-bis[oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')molybdate(VI)]
Acta Crystallographica Section C, 2013, 69, 37-40
2018762 CIF
HKL
Paper
C38 H38 N12 O12 ZnP -18.8956; 10.161; 11.233
77.14; 86.51; 84.8
984.9Li, Fa-Zhan; Li, Guo-Ting
<i>catena</i>-Poly[[[diaquazinc]-bis{μ-<i>N</i>^2^,<i>N</i>^6^-bis[(pyridin-3-yl)methyl]pyridine-2,6-dicarboxamide}] dinitrate]
Acta Crystallographica Section C, 2013, 69, 33-36
2018763 CIF
HKL
Paper
C2 H2 O4 PbP 21 21 216.5227; 7.4153; 8.7646
90; 90; 90
423.92Lanza, Arianna; Gambirasi, Arianna; Favaro, Monica; Peruzzo, Luca; Chiurato, Matteo; Nestola, Fabrizio
Re-investigation of lead(II) formate
Acta Crystallographica Section C, 2013, 69, 41-43
2018764 CIF
HKL
Paper
C24 H16 Cu2 N6 O4P 1 21/c 17.752; 20.566; 14.141
90; 99.639; 90
2222.6Cai, Hua; Guo, Ying; Li, Jian-Gang
Controllable assembly of a three-dimensional metal‒organic supramolecular framework including π‒π stacking interactions
Acta Crystallographica Section C, 2013, 69, 8-10
2018765 CIF
HKL
Paper
C14 H11 Cl N2 O4P 1 21/c 112.4413; 15.8116; 7.1805
90; 103.037; 90
1376.1Cortés, Edwar; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher
Hydrogen-bonded sheet structures in methyl 4-(4-chloroanilino)-3-nitrobenzoate and methyl 1-benzyl-2-(4-chlorophenyl)-1<i>H</i>-benzimidazole-5-carboxylate
Acta Crystallographica Section C, 2013, 69, 77-81
2018766 CIF
HKL
Paper
C22 H17 Cl N2 O2P 1 21/c 114.214; 11.7391; 11.058
90; 98.908; 90
1822.9Cortés, Edwar; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher
Hydrogen-bonded sheet structures in methyl 4-(4-chloroanilino)-3-nitrobenzoate and methyl 1-benzyl-2-(4-chlorophenyl)-1<i>H</i>-benzimidazole-5-carboxylate
Acta Crystallographica Section C, 2013, 69, 77-81
2018767 CIF
HKL
Paper
C6 H9 N3 O3P b c a8.415; 12.8669; 15.2441
90; 90; 90
1650.6Yan, Xing-Chen; Fan, Yu-Hua; Bi, Cai-Feng; Zhang, Xia; Zhang, Zhong-Yu
An amino‒imino resonance study of 2-amino-4-methylpyridinium nitrate and 2-amino-5-methylpyridinium nitrate
Acta Crystallographica Section C, 2013, 69, 61-65
2018768 CIF
HKL
Paper
C88 H68 Cd4 Cl4 N12 O34I -427.838; 27.838; 11.779
90; 90; 90
9128Liu, Ming-Liang; Ye, Qiong
A tetranuclear cadmium(II) complex based on the 2-(quinolin-8-yloxy)acetonitrile ligand
Acta Crystallographica Section C, 2013, 69, 17-20
2018769 CIF
HKL
Paper
C17 H21 N3 O SP 1 21/n 112.7125; 7.8246; 16.579
90; 106.904; 90
1577.9Insuasty, Alberto; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher
(<i>Z</i>)-5-[4-(Dimethylamino)benzylidene]-2-(piperidin-1-yl)-1,3-thiazolidin-4(5<i>H</i>)-one
Acta Crystallographica Section C, 2013, 69, 74-76
2018770 CIF
HKL
Paper
Ca10 Cr7 O28R 3 c :H10.758; 10.758; 38.073
90; 90; 120
3816.02Gyepesová, Dalma; Langer, Vratislav
Ca~10~(Cr^V^O~4~)~6~(Cr^VI^O~4~), a disordered mixed-valence chromium compound exhibiting inversion twinning
Acta Crystallographica Section C, 2013, 69, 111-113
2018771 CIF
HKL
Paper
Ba Co3 H2 O10 V2R -3 m :H5.921; 5.921; 21.016
90; 90; 120
638.07Dordević, Tamara; Karanović, Ljiljana
Ba[Co~3~(VO~4~)~2~(OH)~2~] with a regular Kagomé lattice
Acta Crystallographica Section C, 2013, 69, 114-118
2018772 CIF
HKL
Paper
C12 H32 N2 O3 S2P 1 21/n 18.6437; 9.5322; 21.8594
90; 95.657; 90
1792.3Okuniewski, Andrzej; Chojnacki, Jaroslaw; Baranowska, Katarzyna; Becker, Barbara
Bis(diisopropylammonium) thiosulfate and bis(<i>tert</i>-butylammonium) thiosulfate
Acta Crystallographica Section C, 2013, 69, 195-198
2018773 CIF
HKL
Paper
C8 H24 N2 O3 S2P 1 21/n 111.7834; 12.3519; 19.9312
90; 97.017; 90
2879.2Okuniewski, Andrzej; Chojnacki, Jaroslaw; Baranowska, Katarzyna; Becker, Barbara
Bis(diisopropylammonium) thiosulfate and bis(<i>tert</i>-butylammonium) thiosulfate
Acta Crystallographica Section C, 2013, 69, 195-198
2018774 CIF
HKL
Paper
C10 H16 N2 O3 SP 21 21 215.1955; 10.3017; 20.943
90; 90; 90
1120.9Altaf, Muhammad; Stoeckli-Evans, Helen
Chiral one- and two-dimensional silver(I)‒biotin coordination polymers
Acta Crystallographica Section C, 2013, 69, 127-137
2018775 CIF
HKL
Paper
C10 H21 Ag N2 O6 SP 1 21 18.7869; 8.2847; 9.8588
90; 95.718; 90
714.12Altaf, Muhammad; Stoeckli-Evans, Helen
Chiral one- and two-dimensional silver(I)‒biotin coordination polymers
Acta Crystallographica Section C, 2013, 69, 127-137
2018776 CIF
HKL
Paper
C20 H34 Ag2 N6 O13 S2C 1 2 121.8568; 8.0321; 16.8886
90; 99.337; 90
2925.6Altaf, Muhammad; Stoeckli-Evans, Helen
Chiral one- and two-dimensional silver(I)‒biotin coordination polymers
Acta Crystallographica Section C, 2013, 69, 127-137
2018777 CIF
HKL
Paper
C20 H32 Ag F6 N4 O6 P S2P 1 21 115.113; 9.6028; 28.667
90; 90.946; 90
4159.8Altaf, Muhammad; Stoeckli-Evans, Helen
Chiral one- and two-dimensional silver(I)‒biotin coordination polymers
Acta Crystallographica Section C, 2013, 69, 127-137
2018778 CIF
HKL
Paper
C20 H32 Ag F6 N4 O6 S2 SbP 1 21 19.6902; 14.6452; 9.8604
90; 91.167; 90
1399Altaf, Muhammad; Stoeckli-Evans, Helen
Chiral one- and two-dimensional silver(I)‒biotin coordination polymers
Acta Crystallographica Section C, 2013, 69, 127-137
2018779 CIF
HKL
Paper
C8 H4 Cl N O2 TeP 1 21/c 19.9504; 8.849; 10.0077
90; 99.731; 90
868.5Watkins, Jennifer M.; Fronczek, Frank R.; Zehnder, Ralph A.; Junk, Thomas
1-Chlorofuro[3,2-<i>e</i>][2,1,3]benzoxatellurazole
Acta Crystallographica Section C, 2013, 69, 156-157
2018780 CIF
HKL
Paper
C7 H6 B N O3P 1 21/c 19.0848; 6.2043; 13.1207
90; 107.792; 90
704.17Sarina, Evan A.; Olmstead, Marilyn M.; Nguyen, Dung N.; Groziak, Michael P.
1-Hydroxy-1<i>H</i>-benzo[<i>d</i>][1,2,6]oxazaborinin-4(3<i>H</i>)-one
Acta Crystallographica Section C, 2013, 69, 183-185
2018781 CIF
HKL
Paper
C36 H53 N7 O6P 21 21 2110.4235; 19.1651; 37.2907
90; 90; 90
7449.47Gelbrich, Thomas; Kahlenberg, Volker; Langes, Christoph; Griesser, Ulrich J.
Telaprevir: helical chains based on three-point hydrogen-bond connections
Acta Crystallographica Section C, 2013, 69, 179-182
2018782 CIF
HKL
Paper
C31 H26 N11 O7.5 S3 Zn12P -110.4687; 12.8659; 13.8539
83.28; 84.374; 69.611
1733.76Oliveira, F. L.; Huber, P. C.; Almeida, W. P.; Sabino, J. R.; Aparicio, R.
Tris[2-(1,3-thiazol-2-yl-κ<i>N</i>)-1<i>H</i>-benzimidazole-κ<i>N</i>^3^]zinc(II) dinitrate ethanol hemisolvate monohydrate at~100K
Acta Crystallographica Section C, 2013, 69, 119-122
2018783 CIF
Paper
C14 H8 Cl2P 1 21/c 119.007; 3.8621; 15.137
90; 107.41; 90
1060.25Müller, Peter; Fronczek, Frank R.; Smith, Stacey J.; Mako, Teresa; Levine, Mindy
Two polymorphs of 1,8-dichloroanthracene
Acta Crystallographica Section C, 2013, 69, 199-203
2018784 CIF
Paper
C14 H8 Cl2P n a 2115.331; 3.8621; 18.087
90; 90; 90
1070.9Müller, Peter; Fronczek, Frank R.; Smith, Stacey J.; Mako, Teresa; Levine, Mindy
Two polymorphs of 1,8-dichloroanthracene
Acta Crystallographica Section C, 2013, 69, 199-203
2018785 CIF
HKL
Paper
Cu1.92 O12 P3 Sc ZrR -3 c :H8.9266; 8.9266; 22.0738
90; 90; 120
1523.28Bond, Andrew D.; Warner, Terence E.
Copper scandium zirconium phosphate: occupancy of the <i>M</i>1 and <i>M</i>2 sites in the temperature range 100‒300K
Acta Crystallographica Section C, 2013, 69, 105-110
2018786 CIF
HKL
Paper
Cu1.92 O12 P3 Sc ZrR -3 c :H8.9344; 8.9344; 22.0918
90; 90; 120
1527.19Bond, Andrew D.; Warner, Terence E.
Copper scandium zirconium phosphate: occupancy of the <i>M</i>1 and <i>M</i>2 sites in the temperature range 100‒300K
Acta Crystallographica Section C, 2013, 69, 105-110
2018787 CIF
HKL
Paper
Cu1.92 O12 P3 Sc ZrR -3 c :H8.9206; 8.9206; 22.071
90; 90; 120
1521Bond, Andrew D.; Warner, Terence E.
Copper scandium zirconium phosphate: occupancy of the <i>M</i>1 and <i>M</i>2 sites in the temperature range 100‒300K
Acta Crystallographica Section C, 2013, 69, 105-110
2018788 CIF
HKL
Paper
C10 H10 Cl10 Hg3 N2P -14.1792; 11.618; 13.238
70.44; 83.71; 89.91
601.6Jin, Lei; Wu, De-Hong
Poly[bis(4-chloropyridinium) tetra-μ~2~-chlorido-tetrachloridotrimercurate(II)]
Acta Crystallographica Section C, 2013, 69, 142-145
2018789 CIF
HKL
Paper
C20 H30 O2P -111.3855; 11.3863; 11.5351
62.22; 81.596; 65.878
1205.7Domasevitch, Konstantin V.
1,1'-Biadamantane-3,3'-diol: a two-dimensional network supported by a `hexameric alcohol cluster' supramolecular synthon
Acta Crystallographica Section C, 2013, 69, 175-178
2018790 CIF
HKL
Paper
C13 H10 Br N3 O3P 1 21/n 18.517; 21.699; 14.301
90; 90.31; 90
2643Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.
Contrasting the supramolecular structures in the isomeric pair 5-bromo-3-nitrosalicylaldehyde phenylhydrazone and 3-bromo-5-nitrosalicylaldehyde phenylhydrazone
Acta Crystallographica Section C, 2013, 69, 150-155
2018791 CIF
HKL
Paper
C13 H10 Br N3 O3P -17.9022; 11.7662; 14.917
68.971; 83.143; 88.375
1285.2Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.
Contrasting the supramolecular structures in the isomeric pair 5-bromo-3-nitrosalicylaldehyde phenylhydrazone and 3-bromo-5-nitrosalicylaldehyde phenylhydrazone
Acta Crystallographica Section C, 2013, 69, 150-155
2018792 CIF
HKL
Paper
C60 H70 Co2 N12 O23 V4C 1 2/c 121.965; 14.003; 23.836
90; 106.08; 90
7044.5Zhang, Ke; Liang, Da-Dong; Wang, Ming-Hui; Liu, Yan; Luan, Guo-You
Bis[tris(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')cobalt(II)] <i>cyclo</i>-tetravanadate undecahydrate
Acta Crystallographica Section C, 2013, 69, 138-141
2018793 CIF
HKL
Paper
C6 H5 N3 OP 1 21/n 14.8315; 19.976; 6.3551
90; 104.69; 90
593.3Novotná, Radka; Trávníček, Zdeněk
Infinite ladder-like chains organized into a three-dimensional zigzag supramolecular architecture in 9-deazahypoxanthine
Acta Crystallographica Section C, 2013, 69, 158-161
2018794 CIF
HKL
Paper
C10 H8 Cu I N4P 1 2/c 19.7137; 8.0745; 15.396
90; 98.73; 90
1193.6Huang, Wenjiang; Zhang, Jinfang; Li, Jianghua; Zhang, Chi
A twofold interwoven two-dimensional→two-dimensional (2-D→2-D) cluster‒organic network based on the [Cu~2~I~2~] cluster and the 4,4'-(diazenediyl)dipyridine ligand: poly[[μ~2~-4,4'-(diazenediyl)dipyridine]-μ~2~-iodido-copper(I)]
Acta Crystallographica Section C, 2013, 69, 123-126
2018795 CIF
HKL
Paper
C12 H10 Cl N OP 21 21 213.937; 11.977; 21.482
90; 90; 90
1013Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.; de Cardoso, Laura N.; De Souza, Marcus V. N.
Substituted 4-alkoxy-7-Cl-quinolines exhibiting π‒π stacking
Acta Crystallographica Section C, 2013, 69, 191-194
2018796 CIF
HKL
Paper
C10 H8 Cl N OP 1 21/n 13.812; 10.9801; 20.348
90; 93.591; 90
850.02Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.; de Cardoso, Laura N.; De Souza, Marcus V. N.
Substituted 4-alkoxy-7-Cl-quinolines exhibiting π‒π stacking
Acta Crystallographica Section C, 2013, 69, 191-194
2018797 CIF
HKL
Paper
C11 H10 Cl N OP 1 21/n 13.932; 11.98; 20.86
90; 90.56; 90
983Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.; de Cardoso, Laura N.; De Souza, Marcus V. N.
Substituted 4-alkoxy-7-Cl-quinolines exhibiting π‒π stacking
Acta Crystallographica Section C, 2013, 69, 191-194
2018798 CIF
HKL
Paper
C26 H44 Br2 O2C 1 2/c 167.0788; 4.4717; 18.2399
90; 101.216; 90
5366.7Fonrouge, Ana; Cecchi, Florencia; Alborés, Pablo; Baggio, Ricardo; Cukiernik, Fabio D.
Relative influence of noncovalent interactions on the melting points of a homologous series of 1,2-dibromo-4,5-dialkoxybenzenes
Acta Crystallographica Section C, 2013, 69, 204-208
2018799 CIF
HKL
Paper
C38 H68 Br2 O2C 1 c 150.158; 8.36; 9.248
90; 94.136; 90
3867.8Fonrouge, Ana; Cecchi, Florencia; Alborés, Pablo; Baggio, Ricardo; Cukiernik, Fabio D.
Relative influence of noncovalent interactions on the melting points of a homologous series of 1,2-dibromo-4,5-dialkoxybenzenes
Acta Crystallographica Section C, 2013, 69, 204-208
2018800 CIF
HKL
Paper
C10 H32 Cl4 N10 O16 Pt2 S2P -19.0535; 9.6033; 9.6034
104.944; 91.574; 113.765
730.11Ozawa, Yoshiki; Kim, Misa; Toriumi, Koshiro
A one-dimensional platinum mixed-valence complex with bridging thiocyanate S atoms: [[Pt^II^(en)~2~](μ-SCN)[Pt^IV^(en)~2~](μ-SCN)](ClO~4~)~4~ (en is ethane-1,2-diamine)
Acta Crystallographica Section C, 2013, 69, 146-149
2018801 CIF
HKL
Paper
C6 H19 Cl2 N6 O9.5 Pt S2C 1 2 130.515; 8.3572; 7.443
90; 96.507; 90
1885.9Ozawa, Yoshiki; Kim, Misa; Toriumi, Koshiro
A one-dimensional platinum mixed-valence complex with bridging thiocyanate S atoms: [[Pt^II^(en)~2~](μ-SCN)[Pt^IV^(en)~2~](μ-SCN)](ClO~4~)~4~ (en is ethane-1,2-diamine)
Acta Crystallographica Section C, 2013, 69, 146-149
2018802 CIF
HKL
Paper
C16 H19 N5 O3P -17.399; 9.609; 12.449
73.3; 82.68; 72.693
808.5Acosta, Lina M.; Yepes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
Six closely related 4,6-disubstituted 2-amino-5-formylpyrimidines: different ring conformations, polarized electronic structures, and hydrogen-bonded assembly in zero, one, two and three dimensions
Acta Crystallographica Section C, 2013, 69, 162-171
2018803 CIF
HKL
Paper
C14 H16 N6 O2C 1 2/c 120.045; 8.6868; 17.99
90; 114.064; 90
2860.3Acosta, Lina M.; Yepes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
Six closely related 4,6-disubstituted 2-amino-5-formylpyrimidines: different ring conformations, polarized electronic structures, and hydrogen-bonded assembly in zero, one, two and three dimensions
Acta Crystallographica Section C, 2013, 69, 162-171
2018804 CIF
HKL
Paper
C17 H21 N5 O3C 1 2/c 116.707; 10.218; 20.733
90; 105.929; 90
3403.5Acosta, Lina M.; Yepes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
Six closely related 4,6-disubstituted 2-amino-5-formylpyrimidines: different ring conformations, polarized electronic structures, and hydrogen-bonded assembly in zero, one, two and three dimensions
Acta Crystallographica Section C, 2013, 69, 162-171
2018805 CIF
HKL
Paper
C16 H19 N5 O3P 1 21/c 115.636; 6.5674; 17.336
90; 113.44; 90
1633.3Acosta, Lina M.; Yepes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
Six closely related 4,6-disubstituted 2-amino-5-formylpyrimidines: different ring conformations, polarized electronic structures, and hydrogen-bonded assembly in zero, one, two and three dimensions
Acta Crystallographica Section C, 2013, 69, 162-171
2018806 CIF
HKL
Paper
C18 H23 N5 O3C 1 2/c 124.8226; 7.1379; 20.601
90; 106.213; 90
3504.9Acosta, Lina M.; Yepes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
Six closely related 4,6-disubstituted 2-amino-5-formylpyrimidines: different ring conformations, polarized electronic structures, and hydrogen-bonded assembly in zero, one, two and three dimensions
Acta Crystallographica Section C, 2013, 69, 162-171
2018807 CIF
HKL
Paper
C15 H23 N5 O3P -18.04; 10.391; 10.458
109.16; 98.19; 103.1
781.2Acosta, Lina M.; Yepes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
Six closely related 4,6-disubstituted 2-amino-5-formylpyrimidines: different ring conformations, polarized electronic structures, and hydrogen-bonded assembly in zero, one, two and three dimensions
Acta Crystallographica Section C, 2013, 69, 162-171
2018808 CIF
HKL
Paper
C50 H58 Cl4 N6 O12P -17.9609; 11.2732; 15.8323
101.794; 95.41; 109.767
1288.2Freire, Eleonora; Polla, Griselda; Baggio, Ricardo
Aripiprazole salts. III. Bis(aripiprazolium) oxalate‒oxalic acid (1/1)
Acta Crystallographica Section C, 2013, 69, 186-190
2018809 CIF
HKL
Paper
C11 H9 F3 N4 O2P -14.957; 8.737; 13.562
93.22; 97.02; 91.05
581.8Portilla, Jaime; Ontiveros, Ina; Cobo, Justo; Glidewell, Christopher
5-Methyl-<i>N</i>-[2-nitro-4-(trifluoromethyl)phenyl]-1<i>H</i>-pyrazole-3-amine: a chain of hydrogen-bonded <i>R</i>~2~^2^(6) and <i>R</i>~2~^2^(16) rings
Acta Crystallographica Section C, 2013, 69, 172-174
2018810 CIF
Paper
C5 H10 N2 O7 P2P 1 21/c 16.8162; 10.6307; 13.924
90; 96.954; 90
1001.5Chernyshev, Vladimir V.; Shkavrov, Sergey V.; Paseshnichenko, Ksenia A.; Puryaeva, Tamara P.; Velikodny, Yurii A.
Zoledronic acid: monoclinic and triclinic polymorphs from powder diffraction data
Acta Crystallographica Section C, 2013, 69, 263-266
2018811 CIF
Paper
C5 H10 N2 O7 P2P -18.4217; 8.6039; 8.1818
92.778; 112.415; 116.072
475.33Chernyshev, Vladimir V.; Shkavrov, Sergey V.; Paseshnichenko, Ksenia A.; Puryaeva, Tamara P.; Velikodny, Yurii A.
Zoledronic acid: monoclinic and triclinic polymorphs from powder diffraction data
Acta Crystallographica Section C, 2013, 69, 263-266
2018812 CIF
HKL
Paper
C19 H16 O7P -17.5894; 10.55; 11.238
62.88; 71.89; 77.782
758.6Karmakar, Anirban; Platero-Prats, Ana E.; Öhrström, Lars
A new methanol solvate and Hirshfeld analysis of π-stacking in 2,3,6,7,10,11-hexahydroxytriphenylene solvates
Acta Crystallographica Section C, 2013, 69, 251-254
2018813 CIF
HKL
Paper
C19 Cl15C 1 2/c 113.718; 11.542; 17.946
90; 108.134; 90
2700Guasch, Judith; Fontrodona, Xavier; Ratera, Imma; Rovira, Concepció; Veciana, Jaume
The perchlorotriphenylmethyl (PTM) radical
Acta Crystallographica Section C, 2013, 69, 255-257
2018814 CIF
HKL
Paper
C36 H46 Co N8 O10P -110.0002; 10.1568; 10.2186
89.906; 66.363; 75.805
916.32Nazarenko, Olga M.; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.
Cobalt(II) and cadmium(II) square grids supported with 4,4'-bipyrazole and accommodating 3-carboxyadamantane-1-carboxylate
Acta Crystallographica Section C, 2013, 69, 232-236
2018815 CIF
HKL
Paper
C36 H46 Cd N8 O10C 1 2/c 114.5363; 14.9862; 18.3813
90; 105.384; 90
3860.8Nazarenko, Olga M.; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.
Cobalt(II) and cadmium(II) square grids supported with 4,4'-bipyrazole and accommodating 3-carboxyadamantane-1-carboxylate
Acta Crystallographica Section C, 2013, 69, 232-236
2018816 CIF
HKL
Paper
C38 H98 Cl2 Mn N10 O10 P4P -110.978; 12.7452; 12.7755
63.131; 68.173; 83.141
1477.67Tarahhomi, Atekeh; Pourayoubi, Mehrdad; Fejfarová, Karla; Dušek, Michal
A novel amido‒pyrophosphate Mn^II^ chelate complex with the synthetic ligand O{P(O)[NHC(CH~3~)~3~]~2~}~2~ (<i>L</i>): [Mn(<i>L</i>)~2~{OC(H)N(CH~3~)~2~}~2~]Cl~2~·2H~2~O
Acta Crystallographica Section C, 2013, 69, 225-228
2018817 CIF
HKL
Paper
C32 H52.68 Co4 N24 O24.35C 1 2/c 110.548; 18.669; 24.795
90; 92.687; 90
4877.3Atria, Ana María; Parada, José; Garland, Maria Teresa; Baggio, Ricardo
A polymeric cobalt(II) complex derived from citric acid (H~4~cit) and 2,6-diaminopurine (dap): {[Co~4~(cit)~2~(dap)~4~(H~2~O)~4~]·6.35H~2~O}~<i>n~</i>
Acta Crystallographica Section C, 2013, 69, 212-215
2018818 CIF
Paper
C13 H14 N2 O7P 1 21 18.1032; 10.0065; 8.8704
90; 90.609; 90
719.21Fu, Ying; He, Yin-Xia; Hou, Hong-Xia; Zhu, Wen-Bo; Li, Hu-Lin; Wu, Chao; Xian, Fang-Yan
2,2'-Anhydro-1-(3',5'-di-<i>O</i>-acetyl-β-<small>D</small>-arabinofuranosyl)uracil, a cyclouridine nucleoside with a C4'-<i>endo</i> furanosyl conformation
Acta Crystallographica Section C, 2013, 69, 282-284
2018819 CIF
HKL
Paper
C21 H22 Br N O2R -3 :H29.8145; 29.8145; 10.2028
90; 90; 120
7854.3Brzezinski, Krzysztof; Lazny, Ryszard; Nodzewska, Aneta; Sidorowicz, Katarzyna
Relative configuration, absolute configuration and absolute structure of three isomeric 8-benzyl-2-[(4-bromophenyl)(hydroxy)methyl]-8-azabicyclo[3.2.1]octan-3-ones
Acta Crystallographica Section C, 2013, 69, 303-306
2018820 CIF
HKL
Paper
C21 H22 Br N O2P 21 21 215.96905; 14.7659; 20.76083
90; 90; 90
1829.83Brzezinski, Krzysztof; Lazny, Ryszard; Nodzewska, Aneta; Sidorowicz, Katarzyna
Relative configuration, absolute configuration and absolute structure of three isomeric 8-benzyl-2-[(4-bromophenyl)(hydroxy)methyl]-8-azabicyclo[3.2.1]octan-3-ones
Acta Crystallographica Section C, 2013, 69, 303-306
2018821 CIF
HKL
Paper
C21 H22 Br N O2P n a 219.0968; 32.068; 6.1711
90; 90; 90
1800.21Brzezinski, Krzysztof; Lazny, Ryszard; Nodzewska, Aneta; Sidorowicz, Katarzyna
Relative configuration, absolute configuration and absolute structure of three isomeric 8-benzyl-2-[(4-bromophenyl)(hydroxy)methyl]-8-azabicyclo[3.2.1]octan-3-ones
Acta Crystallographica Section C, 2013, 69, 303-306
2018822 CIF
HKL
Paper
C12 H10 Br4P -16.9532; 8.4323; 11.9669
94.706; 91.257; 110.892
652.31Boeré, René T.; Bender, Christopher O.
A tetrabromo-1,4-ethanonaphthalene and related dibromo-1,4-ethenonaphthalene
Acta Crystallographica Section C, 2013, 69, 247-250
2018823 CIF
HKL
Paper
C12 H8 Br2P 1 21/n 19.52; 6.5032; 17.124
90; 100.826; 90
1041.3Boeré, René T.; Bender, Christopher O.
A tetrabromo-1,4-ethanonaphthalene and related dibromo-1,4-ethenonaphthalene
Acta Crystallographica Section C, 2013, 69, 247-250
2018824 CIF
HKL
Paper
C10 H14P 1 21/c 19.0919; 6.0956; 8.9673
90; 114.986; 90
450.46Yufit, Dmitry S.
The low-melting compounds 1,4-diethyl-, 1,2-diethyl- and ethylbenzene
Acta Crystallographica Section C, 2013, 69, 273-276
2018825 CIF
HKL
Paper
C10 H14F d d 213.556; 15.931; 7.7562
90; 90; 90
1675Yufit, Dmitry S.
The low-melting compounds 1,4-diethyl-, 1,2-diethyl- and ethylbenzene
Acta Crystallographica Section C, 2013, 69, 273-276
2018826 CIF
HKL
Paper
C8 H10P 1 21/n 15.6138; 14.97; 8.0481
90; 102.18; 90
661.13Yufit, Dmitry S.
The low-melting compounds 1,4-diethyl-, 1,2-diethyl- and ethylbenzene
Acta Crystallographica Section C, 2013, 69, 273-276
2018827 CIF
HKL
Paper
C12 H30 Cd3 Cl8 N4 O2P 1 21/c 16.8035; 21.209; 9.0101
90; 92.64; 90
1298.7Zhou, Qin-Qin; Jin, Lei; Liao, Wei-Qiang; Zhang, Yi
A potential molecular ferroelectric material: poly[[bis(1-aza-4-azoniabicyclo[2.2.2]octane)di-μ~3~-chlorido-tetra-μ~2~-chlorido-dichloridotricadmium(II)] dihydrate]
Acta Crystallographica Section C, 2013, 69, 237-240
2018828 CIF
HKL
Paper
C30 H30 Cd N2 O9 SP 1 21/c 113.5444; 11.9489; 18.518
90; 105.826; 90
2883.4Wang, Jun; Tao, Jian-Qing; Xu, Xiao-Juan; Tan, Chun-Yun
A one-dimensional coordination polymer with a three-dimensional supramolecular framework: <i>catena</i>-poly[[[(3,4,7,8-tetramethyl-1,10-phenanthroline)cadmium(II)]-μ~3~-4,4'-sulfonyldibenzoato] trihydrate]
Acta Crystallographica Section C, 2013, 69, 241-243
2018829 CIF
HKL
Paper
C7 H12 N2 O8 S ZnP 1 21/c 113.365; 5.714; 15.357
90; 102.98; 90
1142.8Zasłona, Halina; Drożdżewski, Piotr; Barys, Maciej
A helical coordination polymer of zinc(II), 4-hydroxybenzohydrazide and sulfate ions
Acta Crystallographica Section C, 2013, 69, 229-231
2018830 CIF
Paper
C15 H23 Cl2 N3 O2 SP 1 21/c 114.4952; 16.5419; 7.9715
90; 90.858; 90
1911.2Chernyshev, Vladimir V.; Petkune, Sanita; Actins, Andris; Auzins, Raimonds; Davlyatshin, Dmitry I.; Nosyrev, Pavel V.; Velikodny, Yurii A.
Two polymorphs of afobazole from powder diffraction data
Acta Crystallographica Section C, 2013, 69, 299-302
2018831 CIF
Paper
C15 H23 Cl2 N3 O2 SP 1 21/c 19.791; 18.2689; 10.5687
90; 103.225; 90
1840.3Chernyshev, Vladimir V.; Petkune, Sanita; Actins, Andris; Auzins, Raimonds; Davlyatshin, Dmitry I.; Nosyrev, Pavel V.; Velikodny, Yurii A.
Two polymorphs of afobazole from powder diffraction data
Acta Crystallographica Section C, 2013, 69, 299-302

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